1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione

C8H12N2O3 — CID 123506257

IUPAC1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)C(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-5(2)7(12)10-4-3-6(11)9-8(10)13/h3-5,7,12H,1-2H3,(H,9,11,13)
InChIKeyAFCPGGQWKRHXCK-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.32
Rot. Bonds2

About 1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione

1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 123506257) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
PubChem CID123506257
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)C(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-5(2)7(12)10-4-3-6(11)9-8(10)13/h3-5,7,12H,1-2H3,(H,9,11,13)
InChIKeyAFCPGGQWKRHXCK-UHFFFAOYSA-N
XLogP-0.32
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione
CID 66841272
1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione
CID 102016797
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
1-(3-oxopentan-2-yl)pyrimidine-2,4-dione
CID 64868893
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 161423675
5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 162083169
1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 143809467
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
N-[2-[[(1R,2R)-1-(2,4-dioxopyrimidin-1-yl)-1-hydroxypropan-2-yl]oxymethyl]-3-methoxy-2-methylpropyl]-methoxyphosphonamidic acid
CID 174088877

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione (CID 123506257) is 1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione is CC(C)C(O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is AFCPGGQWKRHXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(2)7(12)10-4-3-6(11)9-8(10)13/h3-5,7,12H,1-2H3,(H,9,11,13).
What are the key properties of 1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione?
1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 123506257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).